6-(3-oxidanylidenebutanoylcarbamoyl)naphthalene-1-sulfonic acid

Systemtic Name: 6-(3-oxidanylidenebutanoylcarbamoyl)naphthalene-1-sulfonic acid Openeye Name: 6-(3-oxobutanoylcarbamoyl)naphthalene-1-sulfonic acid CAS Name: 6-[(1,3-dioxobutylamino)-oxomethyl]-1-naphthalenesulfonic acid IUPAC Name: 6-(3-oxobutanoylcarbamoyl)naphthalene-1-sulfonic acid Traditional Name: 6-(acetoacetylcarbamoyl)naphthalene-1-sulfonic acid Formula: C15H13NO6S MolecularWeight: 335.33182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC(=O)C1=CC2=C(C=C1)C(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC(=O)C1=CC2=C(C=C1)C(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C15H13NO6S/c1-9(17)7-14(18)16-15(19)11-5-6-12-10(8-11)3-2-4-13(12)23(20,21)22/h2-6,8H,7H2,1H3,(H,16,18,19)(H,20,21,22)